4-Chlorophenylsulphur pentafluoride - CAS 5310-68-9

Catalog:	BB054636
Product Name:	4-Chlorophenylsulphur pentafluoride
CAS:	5310-68-9
Synonyms:	p-Chlorophenylsulfur pentafluoride; 1-Chloro-4-(pentafluorosulphanyl)benzene

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(4-chlorophenyl)-pentafluoro-λ6-sulfane
Molecular Weight:	238.61
Molecular Formula:	C6H4ClF5S
Canonical SMILES:	C1=CC(=CC=C1S(F)(F)(F)(F)F)Cl
InChI:	InChI=1S/C6H4ClF5S/c7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-4H
InChI Key:	AZOPETVFRMSFNY-UHFFFAOYSA-N
Appearance:	Colorless Liquid

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Related Functional Groups

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Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
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[1820736-42-2]
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[932890-93-2]
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Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[874-87-3]
4-(Methylthio)benzyl chloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Signal Word:	Warning

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.9642398
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	237.9642398
Rotatable Bond Count:	0
Topological Polar Surface Area:	1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.8